General Information of the Compound
| Compound ID |
CP0394725
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| Compound Name |
(2R)-2-[[4-[(3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]pyrrolidin-1-yl]benzoyl]amino]butanedioic acid
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| Structure |
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| Formula |
C27H29N3O5
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| Molecular Weight |
475.545
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| Canonical SMILES |
C[C@@H](N[C@H]1CCN(C1)c1ccc(cc1)C(=O)N[C@H](CC(O)=O)C(O)=O)c1cccc2ccccc12
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| InChI |
InChI=1S/C27H29N3O5/c1-17(22-8-4-6-18-5-2-3-7-23(18)22)28-20-13-14-30(16-20)21-11-9-19(10-12-21)26(33)29-24(27(34)35)15-25(31)32/h2-12,17,20,24,28H,13-16H2,1H3,(H,29,33)(H,31,32)(H,34,35)/t17-,20+,24-/m1/s1
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| InChIKey |
PFKVMPVULLNISE-VWQFJMCTSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound